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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000707

6-amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-1-(5-O-phosphonopentofuranosyl)-9H-purin-1-ium

Formula: C15H26N5O20P4+  |  Mol. Weight: 720.28 g/mol

IUPAC: [[5-[6-amino-1-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-1-ium-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

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Overview

Molecular Formula C15H26N5O20P4+
Molecular Weight 720.28 g/mol
Canonical SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C[N+](=C2N)C4C(C(C(O4)COP(=O)(O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy